Summary

IMPPAT Phytochemical identifier: IMPHY013254

Phytochemical name: 4H-Pyran-4-one, 2,3-dihydro-2,5-dihydroxy-6-methyl-

Synonymous chemical names:
2,3-dihydro-2,5-dihydroxy-6-methyl-4h-pyran-4-one(ddmo)

External chemical identifiers:
CID:15351062, SureChEMBL:SCHEMBL397103

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Chemical structure information

SMILES:
OC1CC(=O)C(=C(O1)C)O

InChI:
InChI=1S/C6H8O4/c1-3-6(9)4(7)2-5(8)10-3/h5,8-9H,2H2,1H3

InChIKey:
WIURKZVZWYELHL-UHFFFAOYSA-N

DeepSMILES:
OCCC=O)C=CO6)C))O

Functional groups:
CC1=C(O)C(=O)CC(O)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=COCC1

Scaffold Graph/Node level:
OC1CCOCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids

NP-Likeness score: 2.366

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Chemical structure download